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101364-80-1 | 2-Propenoic acid, 2-methyl-, 2,4,6-triiodophenyl ester
CAS No: 101364-80-1 Catalog No: AG0004AL MDL No:
Product Description
Catalog Number:
AG0004AL
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,4,6-triiodophenyl ester
CAS Number:
101364-80-1
Molecular Formula:
C10H7I3O2
Molecular Weight:
539.8748
IUPAC Name:
(2,4,6-triiodophenyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C10H7I3O2/c1-5(2)10(14)15-9-7(12)3-6(11)4-8(9)13/h3-4H,1H2,2H3
InChI Key:
XMWLJZBVLQGRDJ-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)Oc1c(I)cc(cc1I)I
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.758g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
539.877g/mol
Monoisotopic Mass:
539.758g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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